(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone

C29H31N5O3 — CID 58603256

IUPAC(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3oc4ncnc(NCC5CCCO5)c4c3-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H31N5O3/c1-33-13-15-34(16-14-33)29(35)22-11-9-21(10-12-22)26-24(20-6-3-2-4-7-20)25-27(31-19-32-28(25)37-26)30-18-23-8-5-17-36-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,30,31,32)
InChIKeyOBPZOBAQDUCRNE-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.54
Rot. Bonds6

About (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone (PubChem CID 58603256) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
PubChem CID58603256
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3oc4ncnc(NCC5CCCO5)c4c3-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H31N5O3/c1-33-13-15-34(16-14-33)29(35)22-11-9-21(10-12-22)26-24(20-6-3-2-4-7-20)25-27(31-19-32-28(25)37-26)30-18-23-8-5-17-36-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,30,31,32)
InChIKeyOBPZOBAQDUCRNE-UHFFFAOYSA-N
XLogP4.54
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 58603273
N-(furan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzenesulfonamide
CID 58603276
but-3-enal;6-[(E)-but-2-en-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylfuro[2,3-d]pyrimidin-4-amine;N-methylmethanamine
CID 143163779
N-(1,3-oxathiolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11646785
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 58280098
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
CID 47036071

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone (CID 58603256) is (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3oc4ncnc(NCC5CCCO5)c4c3-c3ccccc3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone?
The InChIKey is OBPZOBAQDUCRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-33-13-15-34(16-14-33)29(35)22-11-9-21(10-12-22)26-24(20-6-3-2-4-7-20)25-27(31-19-32-28(25)37-26)30-18-23-8-5-17-36-23/h2-4,6-7,9-12,19,23H,5,8,13-18H2,1H3,(H,30,31,32).
What are the key properties of (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone has a molecular weight of 497.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[4-(oxolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]methanone is sourced from PubChem (CID 58603256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).